J1.159.816A
TL;DR: J1.159.816A (CAS 155323-77-6) is a chemical compound with molecular formula C13H13BrCl2N2O3 and molecular weight 393.94867 g/mol, supplied by CoreyChem (Career Henan Chemical Co., Ltd.) with ISO-certified quality and global shipping.
(1S,2R,3S,5S)-3-(2-bromo-5,6-dichlorobenzimidazol-1-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
Also Known As: J1.159.816A, 3142W-92, (+/-)-(1R*,2S*,3S*,5S*)-5-(2-Bromo-5,6-dichloro-1H-benzimidazol-1-yl)-3-(hydroxymethyl)-1,2-cyclopentanediol, (1R, 2S, 3S, 5S)-5-(2-bromo-5,6-dichloro-1H-benzimidazol-1-yl)-3-(hydroxymethyl)-1,2-cyclopentanediol, (1S,2R,3S,5S)-3-(2-bromo-5,6-dichloro-1H-1,3-benzodiazol-1-yl)-5-(hydroxymethyl)cyclopentane-1,2-diol
Technical Specifications
| Molecular Formula | C13H13BrCl2N2O3 |
| Molecular Weight | 393.94867 g/mol |
| XLogP | 2.7 |
| Topological Polar Surface Area (TPSA) | 78.5 Ų |
| Hydrogen Bond Donors | 3 |
| Hydrogen Bond Acceptors | 4 |
| Rotatable Bonds | 2 |
| Exact Mass | 393.94867 Da |
| Heavy Atoms | 21 |
| Complexity | 394.0 |
| SMILES | C1[C@H]([C@@H]([C@@H]([C@H]1N2C3=CC(=C(C=C3N=C2Br)Cl)Cl)O)O)CO |
| InChIKey | KBQMZVQFRAGZEY-MRGVKNFYSA-N |
Chemical Property Profile of J1.159.816A
Property Insights of J1.159.816A
The XLogP value of 2.7 suggests moderate lipophilicity, balancing water solubility and membrane permeability for J1.159.816A. The TPSA of 78.5 Ų falls within the moderate polarity range, balancing permeability and solubility for J1.159.816A. Following Lipinski's Rule of Five, J1.159.816A has 3 hydrogen bond donor(s) and 4 hydrogen bond acceptor(s), all within the drug-like range, suggesting favorable oral bioavailability potential.
Frequently Asked Questions
What is the CAS number of J1.159.816A?
The CAS number of J1.159.816A is 155323-77-6.
What is the molecular formula of J1.159.816A?
The molecular formula of J1.159.816A is C13H13BrCl2N2O3.
What is the molecular weight of J1.159.816A?
The molecular weight of J1.159.816A is 393.94867 g/mol.
Where can I buy J1.159.816A?
You can request a quote for J1.159.816A directly from CoreyChem. Contact us or email [email protected] for pricing and availability.
Does CoreyChem offer custom synthesis for J1.159.816A?
Yes, CoreyChem provides custom synthesis services for J1.159.816A and related compounds. Contact us with your specific requirements including quantity, purity, and timeline.